CID 105021

Fructose 2,6-biphosphate

Structural Information

Molecular Formula
C6H14O12P2
SMILES
C([C@@H]1[C@H]([C@@H]([C@](O1)(CO)OP(=O)(O)O)O)O)OP(=O)(O)O
InChI
InChI=1S/C6H14O12P2/c7-2-6(18-20(13,14)15)5(9)4(8)3(17-6)1-16-19(10,11)12/h3-5,7-9H,1-2H2,(H2,10,11,12)(H2,13,14,15)/t3-,4-,5+,6+/m1/s1
InChIKey
YXWOAJXNVLXPMU-ZXXMMSQZSA-N
Compound name
[(2S,3S,4S,5R)-3,4-dihydroxy-2-(hydroxymethyl)-5-(phosphonooxymethyl)oxolan-2-yl] dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

682
References

1206
Patents

339.99606 Da
Monoisotopic Mass

-5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.00334 163.3
[M+Na]+ 362.98528 163.4
[M+NH4]+ 358.02988 163.1
[M+K]+ 378.95922 169.5
[M-H]- 338.98878 154.5
[M+Na-2H]- 360.97073 158.5
[M]+ 339.99551 159.7
[M]- 339.99661 159.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe